Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
-9.4602 -1.3170 2.5737 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0622 -0.9650 2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0707 -1.7823 2.8898 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6477 -1.4654 2.4539 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4496 -1.7716 0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0424 -1.4714 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7260 -0.0276 0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3004 0.3080 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0789 0.0230 -1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6665 0.3807 -1.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3333 -0.4239 -0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7566 -0.0582 -1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 1.3980 -0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4963 1.6303 -1.3378 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9019 3.0328 -1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2517 3.3791 -1.5959 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4485 2.7335 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6990 1.3163 -1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1439 0.7036 -2.2950 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6032 0.5302 -0.5873 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8730 -0.8681 -0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6003 -1.6135 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5023 -2.5749 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4869 -1.5123 3.6665 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8838 -2.1798 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0856 -0.4137 2.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0345 -1.2129 1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8867 0.1142 2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1714 -1.5105 3.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2887 -2.8627 2.7692 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9537 -2.1078 3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4341 -0.4094 2.6989 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7058 -2.8430 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1119 -1.1382 0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9607 -1.7370 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3019 -2.1489 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7414 0.2334 1.8594 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4117 0.5961 0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1321 1.3669 0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6589 -0.3701 0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2218 -1.0715 -1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7696 0.6326 -1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4977 0.2437 -2.5915 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5182 1.4828 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 -1.5052 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2646 -0.2075 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8579 -0.3439 -2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4930 -0.6747 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0271 1.6369 0.1958 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4277 2.0481 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1497 0.9674 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5338 1.2792 -2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1872 3.6451 -1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6394 3.4353 -0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3000 3.3255 -2.7417 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4153 4.5080 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3377 3.3265 -1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5867 2.9291 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1063 0.9889 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2917 -0.9815 -1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6274 -1.2698 -0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7728 -1.3639 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3156 -2.8508 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5795 -3.1411 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers